N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C18H23N5O2 — CID 110107796

IUPACN-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(C2CCCN2C(=O)Cn2cc(C)cn2)n1
InChIInChI=1S/C18H23N5O2/c1-13-9-20-22(11-13)12-18(25)23-8-4-7-17(23)16-6-3-5-15(21-16)10-19-14(2)24/h3,5-6,9,11,17H,4,7-8,10,12H2,1-2H3,(H,19,24)
InChIKeyYPBLHMGKXPJTEU-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.59
Rot. Bonds5

About N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 110107796) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID110107796
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(C2CCCN2C(=O)Cn2cc(C)cn2)n1
InChIInChI=1S/C18H23N5O2/c1-13-9-20-22(11-13)12-18(25)23-8-4-7-17(23)16-6-3-5-15(21-16)10-19-14(2)24/h3,5-6,9,11,17H,4,7-8,10,12H2,1-2H3,(H,19,24)
InChIKeyYPBLHMGKXPJTEU-UHFFFAOYSA-N
XLogP1.59
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125024071
N-[[6-[(2S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125018598
N-[[6-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107821
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506
N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095780
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019005
N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107823
N-[[6-[(2R)-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125020730
N-[[6-[1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107822
N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124963053
N-[[6-[(2R)-1-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124979556
N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124940019

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 110107796) is N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc(C2CCCN2C(=O)Cn2cc(C)cn2)n1.
What is the InChIKey of N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is YPBLHMGKXPJTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-9-20-22(11-13)12-18(25)23-8-4-7-17(23)16-6-3-5-15(21-16)10-19-14(2)24/h3,5-6,9,11,17H,4,7-8,10,12H2,1-2H3,(H,19,24).
What are the key properties of N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110107796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).